element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hP36_177_j2lm_n
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['12.7373', '0.29654636', '0.38634658', '0.17897304', '0.59169921', '0.24560526', '0.14195821', '0.45535319', '0.84534931']
Parameter values for parameter set 1:
['13.1572', '0.29582282', '0.38597761', '0.60800398', '0.20719885', '0.55276763', '0.65068562', '0.51951883', '0.15651577']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.61365342 0.         0.        ]
 [0.82102696 0.17897304 0.        ]
 [0.40830079 0.59169921 0.        ]
 [0.75439474 0.24560526 0.5       ]
 [0.68660502 0.14195821 0.84534931]]
spacegroup =  177
cell =  [[12.7373, 0, 0], [-6.36865, 11.030825375624, 0], [0, 0, 3.7772]]
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